Information card for entry 4077127

Structure parameters

• Formula: C31 H32 B F5 N O3 P Pd
• Calculated formula: C31 H32 B F5 N O3 P Pd
• SMILES: [Pd]12([P](c3ccccc3[N]1=Cc1ccc(cc1)F)(c1ccccc1)c1ccccc1)[O]=C(C)CC2OCC.[B](F)(F)(F)[F-].O
• Title of publication: Initiation Steps for the Polymerization of Vinyl Ethers Promoted by Cationic Palladium Aqua Complexes
• Authors of publication: Chen, Chi-Li; Chen, Yi-Chun; Liu, Yi-Hong; Peng, Shie-Ming; Liu, Shiuh-Tzung
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5382
• a: 10.2058 ± 0.0001 Å
• b: 19.8003 ± 0.0003 Å
• c: 15.7152 ± 0.0002 Å
• α: 90°
• β: 108.025 ± 0.001°
• γ: 90°
• Cell volume: 3019.84 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.1166
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No